SCHEMBL30697349

SCHEMBL30697349

COc1ccc(OCC(=O)c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.75
MAPT P10636 3/20 0.65
LMNA P02545 2/20 0.65
ALDH1A1 P00352 2/20 0.64
GAA P10253 1/20 0.64
TSHR P16473 1/20 0.63
TP53 P04637 1/20 0.62
NPC1 O15118 2/20 0.60
HTT P42858 2/20 0.60
POLB P06746 1/20 0.58
RAB9A P51151 1/20 0.58
BLM P54132 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26670667 1.00 ACHE (0.75) ACHEMAPTLMNAALDH1A1GAA
SCHEMBL31357497 0.91 ACHE (0.71) ACHEMAPTLMNAALDH1A1GAA
SCHEMBL31357492 0.91 ACHE (0.71) ACHEMAPTLMNAALDH1A1GAA
SCHEMBL31150594 0.89 ACHE (0.69) ACHEMAPTALDH1A1GAATSHR
SCHEMBL29620409 0.89 ACHE (0.69) ACHEMAPTALDH1A1GAATSHR
SCHEMBL29115746 0.87 ACHE (0.73) ACHEMAPTLMNAALDH1A1GAA
SCHEMBL30697350 0.87 ACHE (0.73) ACHEMAPTLMNAALDH1A1GAA
SCHEMBL21100591 0.85 MAPT (0.73) MAPTALDH1A1NPC1HTTPOLB
SCHEMBL15988675 0.84 CTNNB1 (0.77) ACHEMAPTLMNAALDH1A1GAA
SCHEMBL31150639 0.83 HIF1A (0.67) ACHEMAPTALDH1A1GAATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069567-A Method for converting oxidized lignin and model compound thereof into high-added-value organic small molecular compound 兰州大学 2023-11-17 CN disclosed